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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-115971
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Cu', 'Se', 'I']
  • Chemical System: Cu-I-Se
  • Density: 5.413456462593965
  • Atomic Density: 0.03630214908923762
  • Unit Cell Volume: 82.63973553261066
  • Molar Volume: 16.588937324885165
  • Full Formula: Cu1 Se1 I1
  • Reduced Formula: CuSeI
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2